2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C18H27N3O — CID 110862093

IUPAC2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCN1CCCCC1CC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H27N3O/c1-20-11-3-2-6-17(20)14-18(22)19-15-7-9-16(10-8-15)21-12-4-5-13-21/h7-10,17H,2-6,11-14H2,1H3,(H,19,22)
InChIKeyAZUZJSOPOVIRPQ-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.10
Rot. Bonds4

About 2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 110862093) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID110862093
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCN1CCCCC1CC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H27N3O/c1-20-11-3-2-6-17(20)14-18(22)19-15-7-9-16(10-8-15)21-12-4-5-13-21/h7-10,17H,2-6,11-14H2,1H3,(H,19,22)
InChIKeyAZUZJSOPOVIRPQ-UHFFFAOYSA-N
XLogP3.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110856796
N-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110856788
N-(4-acetylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110861173
N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110857805
N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110858473
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688
N-(2,6-dimethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857550
N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110857374
N-(3-acetylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110861048
2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862088
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110859529
2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110425035

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 110862093) is 2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is CN1CCCCC1CC(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is AZUZJSOPOVIRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-20-11-3-2-6-17(20)14-18(22)19-15-7-9-16(10-8-15)21-12-4-5-13-21/h7-10,17H,2-6,11-14H2,1H3,(H,19,22).
What are the key properties of 2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 301.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110862093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).